Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Catechol SCHEMBL10530180 | 0.82 | TSHR (0.75) | TSHRKDM4EL3MBTL1LMNAPOLB | |
| Hydrogen Peroxide SCHEMBL28758135 | 0.82 | TSHR (0.94) | TSHRKDM4EL3MBTL1LMNAPOLB | |
| SCHEMBL9562047 | 0.81 | MRGPRX4 (0.48) | L3MBTL1LMNATDP1NPC1MAPT | |
| Phenol SCHEMBL5486172 | 0.80 | TSHR (0.79) | TSHRKDM4EL3MBTL1LMNAPOLB | |
| Hydroquinone SCHEMBL51561 | 0.80 | TSHR (0.79) | TSHRKDM4ELMNAPOLBTDP1 | |
| Phenol SCHEMBL21518644 | 0.80 | TSHR (0.79) | TSHRKDM4EL3MBTL1LMNAPOLB | |
| SCHEMBL9007485 | 0.79 | TSHR (0.62) | TSHRKDM4EL3MBTL1LMNAPOLB | |
| SCHEMBL5311581 | 0.79 | TSHR (1.00) | TSHRKDM4ELMNAPOLBALDH1A1 | |
| SCHEMBL27380 | 0.79 | TSHR (1.00) | TSHRKDM4ELMNAPOLBALDH1A1 | |
| Benzene SCHEMBL27997624 | 0.79 | TSHR (1.00) | TSHRKDM4ELMNAPOLBALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |